4-[5-{[(3-bromophenyl)methyl]sulfanyl}-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]-2-phenylquinoline
Chemical Structure Depiction of
4-[5-{[(3-bromophenyl)methyl]sulfanyl}-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]-2-phenylquinoline
4-[5-{[(3-bromophenyl)methyl]sulfanyl}-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]-2-phenylquinoline
Compound characteristics
| Compound ID: | V011-5783 |
| Compound Name: | 4-[5-{[(3-bromophenyl)methyl]sulfanyl}-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]-2-phenylquinoline |
| Molecular Weight: | 513.46 |
| Molecular Formula: | C27 H21 Br N4 S |
| Salt: | not_available |
| Smiles: | C=CCn1c(c2cc(c3ccccc3)nc3ccccc23)nnc1SCc1cccc(c1)[Br] |
| Stereo: | ACHIRAL |
| logP: | 7.5667 |
| logD: | 7.5658 |
| logSw: | -6.7635 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 32.278 |
| InChI Key: | CAYOUJYZKUGPGC-UHFFFAOYSA-N |